SCHEMBL2171534

SCHEMBL2171534

CCS(=O)(=O)c1ccc(Oc2cc(CC(=O)O)cc3ccc(OC)cc23)nc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.46
AKR1C3 P42330 1/20 0.46
AKR1C2 P52895 1/20 0.46
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.37
CLK1 P49759 1/20 0.37
DYRK1A Q13627 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MTNR1A P48039 1/20 0.36
PLA2G10 O15496 1/20 0.36
HSD17B10 Q99714 1/20 0.36
RORC P51449 1/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HTR2C P28335 1/20 0.35
CA5A P35218 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3233360 0.89 PTGDR2 (0.40) PTGS1PTGDR2RORC
SCHEMBL2171136 0.88 PTGDR2 (0.39) PTGDR2RORCHTTNPSR1HTR2C
SCHEMBL13356179 0.87 PTGDR2 (0.34) PTGS1AKR1C3AKR1C2PTGDR2RORC
SCHEMBL2173225 0.87 ALDH1A1 (0.37) PTGDR2RORCHTTNPSR1
SCHEMBL3247626 0.87 PTGDR2 (0.46) PTGDR2
SCHEMBL2171631 0.87 PTGS1 (0.52) PTGS1AKR1C3AKR1C2CYP11B1CYP11B2
SCHEMBL3233217 0.85 PTGDR2 (0.45) PTGDR2RORC
SCHEMBL2171225 0.85 PTGDR2 (0.42) PTGDR2RORCHTTNPSR1
SCHEMBL13356132 0.83 AKR1C2 (0.44) PTGS1AKR1C3AKR1C2CYP11B1CYP11B2
SCHEMBL2171262 0.81 HTR2C (0.35) RORCHTTNPSR1HTR2C

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8642629-B2 Naphthylacetic acids HOFFMANN-LA ROCHE INC. (US) 2014-02-04 US claimed
US-20100125058-A1 NAPHTHYLACETIC ACIDS CHEN LI 2010-05-20 US claimed
US-8642629-B2 Naphthylacetic acids HOFFMANN-LA ROCHE INC. (US) 2014-02-04 US disclosed
US-8642629-B2 Naphthylacetic acids HOFFMANN-LA ROCHE INC. (US) 2014-02-04 US disclosed
US-8642629-B2 Naphthylacetic acids HOFFMANN-LA ROCHE INC. (US) 2014-02-04 US disclosed
EP-2346819-B1 NAPHTHYLACETIC ACIDS HOFFMANN LA ROCHE (CH) 2013-04-10 EP disclosed
EP-2346819-A1 NAPHTHYLACETIC ACIDS F. Hoffmann-La Roche AG (CH) 2011-07-27 EP disclosed
US-20100125058-A1 NAPHTHYLACETIC ACIDS CHEN LI 2010-05-20 US disclosed
US-20100125058-A1 NAPHTHYLACETIC ACIDS CHEN LI 2010-05-20 US disclosed
US-20100125058-A1 NAPHTHYLACETIC ACIDS CHEN LI 2010-05-20 US disclosed
WO-2010055004-A1 NAPHTHYLACETIC ACIDS F. HOFFMANN-LA ROCHE AG (CH) 2010-05-20 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100125058-A1 NAPHTHYLACETIC ACIDS HRH2, HRH1, HRH3 PTGS1 601/4885AKR1C3 92/4885AKR1C2 171/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.